UCSF

ZINC34829781

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 37 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.93 17.27 -48.41 1 5 1 45 514.715 5
Mid Mid (pH 6-8) 4.93 15.56 -14.56 0 5 0 44 513.707 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )